[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone

C20H18N6OS — CID 167341606

IUPAC[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone
SMILESCn1cnc(-c2cc(-c3cncnc3)nc3sc(C(=O)C4CCC4)c(N)c23)c1
InChIInChI=1S/C20H18N6OS/c1-26-8-15(24-10-26)13-5-14(12-6-22-9-23-7-12)25-20-16(13)17(21)19(28-20)18(27)11-3-2-4-11/h5-11H,2-4,21H2,1H3
InChIKeyHWGVSQZHQVXHPP-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.72
Rot. Bonds4

About [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone

[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone (PubChem CID 167341606) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone
PubChem CID167341606
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone
SMILESCn1cnc(-c2cc(-c3cncnc3)nc3sc(C(=O)C4CCC4)c(N)c23)c1
InChIInChI=1S/C20H18N6OS/c1-26-8-15(24-10-26)13-5-14(12-6-22-9-23-7-12)25-20-16(13)17(21)19(28-20)18(27)11-3-2-4-11/h5-11H,2-4,21H2,1H3
InChIKeyHWGVSQZHQVXHPP-UHFFFAOYSA-N
XLogP3.72
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
CID 170737931
2-cyclobutylsulfanyl-4-(2-methyl-4-pyridinyl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine
CID 170737936
3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol
CID 170737961
6-(2-aminopyrimidin-5-yl)-2-cyclobutylsulfinyl-4-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-3-amine
CID 167341457
6-(2-aminopyrimidin-5-yl)-2-[(R)-cyclobutylsulfinyl]-4-[3-(dimethylamino)-1-methylpyrazol-5-yl]thieno[2,3-b]pyridin-3-amine
CID 151226161
(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 46243657
2-cyclobutylsulfinyl-6-pyrimidin-5-yl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridin-3-amine
CID 176759637
cyclohexyl-(1-methylimidazol-4-yl)methanone
CID 107976351
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
5-(3-amino-2-cyclobutylsulfanyl-4-phenylthieno[2,3-b]pyridin-6-yl)-N-methylpyrimidine-2-carboxamide
CID 162728487
3,6-diamino-2-(cyclopropanecarbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 3409545

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone?
The IUPAC name of [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone (CID 167341606) is [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone?
The canonical SMILES for [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone is Cn1cnc(-c2cc(-c3cncnc3)nc3sc(C(=O)C4CCC4)c(N)c23)c1.
What is the InChIKey of [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone?
The InChIKey is HWGVSQZHQVXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-26-8-15(24-10-26)13-5-14(12-6-22-9-23-7-12)25-20-16(13)17(21)19(28-20)18(27)11-3-2-4-11/h5-11H,2-4,21H2,1H3.
What are the key properties of [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone?
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone has a molecular weight of 390.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone is sourced from PubChem (CID 167341606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).